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606081-98-5 | Piperidine, 4-(1H-benzimidazol-2-yl)-1-[(3-nitrophenyl)sulfonyl]- (9CI)
CAS No: 606081-98-5 Catalog No: AG00F8BP MDL No:
Product Description
Catalog Number:
AG00F8BP
Chemical Name:
Piperidine, 4-(1H-benzimidazol-2-yl)-1-[(3-nitrophenyl)sulfonyl]- (9CI)
CAS Number:
606081-98-5
IUPAC Name:
2-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
InChI:
InChI=1S/C18H18N4O4S/c23-22(24)14-4-3-5-15(12-14)27(25,26)21-10-8-13(9-11-21)18-19-16-6-1-2-7-17(16)20-18/h1-7,12-13H,8-11H2,(H,19,20)
InChI Key:
WOHBRYCMANOGDO-UHFFFAOYSA-N
Properties
Complexity:
639
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.105g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
386.426g/mol
Monoisotopic Mass:
386.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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